N-pentylpyrazole-1-carboxamide

C9H15N3O — CID 134846837

IUPACN-pentylpyrazole-1-carboxamide
SMILESCCCCCNC(=O)n1cccn1
InChIInChI=1S/C9H15N3O/c1-2-3-4-6-10-9(13)12-8-5-7-11-12/h5,7-8H,2-4,6H2,1H3,(H,10,13)
InChIKeyOOCHUJCUAVPDBS-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.63
Rot. Bonds4

About N-pentylpyrazole-1-carboxamide

N-pentylpyrazole-1-carboxamide (PubChem CID 134846837) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-pentylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-pentylpyrazole-1-carboxamide
PubChem CID134846837
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-pentylpyrazole-1-carboxamide
SMILESCCCCCNC(=O)n1cccn1
InChIInChI=1S/C9H15N3O/c1-2-3-4-6-10-9(13)12-8-5-7-11-12/h5,7-8H,2-4,6H2,1H3,(H,10,13)
InChIKeyOOCHUJCUAVPDBS-UHFFFAOYSA-N
XLogP1.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-pentylpyrazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]pyrazole-1-carboxamide
CID 141081196
N-(2-aminoethyl)pyrazole-1-carboxamide
CID 141081184
N-[2-(dimethylamino)ethyl]pyrazole-1-carboxamide
CID 141081181
N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757
N-[2-(2-hydroxyethylamino)ethyl]pyrazole-1-carboxamide
CID 141081208
N-methylpyrazole-1-carboxamide;propane
CID 90891150
3-amino-N-hexylpyrazole-1-carboxamide
CID 134862016
2-(butylamino)-1-pyrazol-1-ylpropan-1-one
CID 141299758
N-pentyl-2-(2-pyrazol-1-ylethylamino)propanamide
CID 54951591
methyl (Z)-3-pyrazol-1-yloct-2-enoate
CID 177479814
N-pentyl-2,5-dihydropyrrole-1-carboxamide
CID 3824227
N-butyl-4-chloropyrazole-1-carboxamide
CID 17365614

Frequently Asked Questions

What is the IUPAC name of N-pentylpyrazole-1-carboxamide?
The IUPAC name of N-pentylpyrazole-1-carboxamide (CID 134846837) is N-pentylpyrazole-1-carboxamide.
What is the SMILES notation for N-pentylpyrazole-1-carboxamide?
The canonical SMILES for N-pentylpyrazole-1-carboxamide is CCCCCNC(=O)n1cccn1.
What is the InChIKey of N-pentylpyrazole-1-carboxamide?
The InChIKey is OOCHUJCUAVPDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-3-4-6-10-9(13)12-8-5-7-11-12/h5,7-8H,2-4,6H2,1H3,(H,10,13).
What are the key properties of N-pentylpyrazole-1-carboxamide?
N-pentylpyrazole-1-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylpyrazole-1-carboxamide is sourced from PubChem (CID 134846837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).